Browsing by Subject "Adsorption kinetics"
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Item Open Access Ab initio temperature dependent studies of the homoepitaxial growth on Si(0 0 1) surface(2001) Dağ, S.; Çıracı, Salim; Kılıç, Ç.; Fong, C. Y.We performed ab initio zero temperature and finite temperature molecular dynamics calculations to investigate the homoepitaxial growth on the Si(0 0 1) surface. How do the deposited atoms (adatoms) form addimers and how do the addimers reach their favorable positions at the nucleation site of the growth process are presented. Once two epitaxial addimers, one over the dimer row and oriented perpendicular to the surface dimer bonds and the other over the adjacent trough, are aligned at high temperature, the nucleation site of the growth process is formed. The concerted bond exchange between these addimers and the reconstructed surface dimers is found to be the atomistic mechanism that leads to the homoepitaxial growth. © 2001 Elsevier Science B.V.Item Open Access Uptake of Ba2+ ions by natural bentonite and CaCO3: a radiotracer, EDXRF and PXRD study(Akademiai Kiado Rt., 2002) Shahwan, T.; Atesin, A. C.; Erten, H. N.; Zararsiz, A.Ba2+ uptake by natural bentonite, CaCO3 in addition to a number of bentonite-CaCO3 mixtures with variable compositions as a function of pH and Ba2+ concentration was studied. Radiotracer method, EDXRF, and PXRD were used. The results of radiotracer experiments showed that the uptake of Ba2+ by CaCO3 was larger than its uptake by natural bentonite samples, particularly at low initial concentrations of Ba2+ and higher pH values. This finding was supported by the EDXRF results, According to the sorption data, the apparent ΔG° values of sorption were in the range -9±1 to -13±3 kJ/mol. The PXRD studies revealed the formation of BaCO3 upon sorption of Ba2+ on pure CaCO3 and on some of the bentonite-CaCO3 mixtures.